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89372-63-4 | 1-(1h-imidazol-1-yl)-3,3-dimethyl-2-[4-(trifluoromethyl)benzyl]butan-1-one
CAS No: 89372-63-4 Catalog No: AG003XBQ MDL No:
Product Description
Catalog Number:
AG003XBQ
Chemical Name:
1-(1h-imidazol-1-yl)-3,3-dimethyl-2-[4-(trifluoromethyl)benzyl]butan-1-one
CAS Number:
89372-63-4
Molecular Formula:
C17H19F3N2O
Molecular Weight:
324.3408
IUPAC Name:
1-imidazol-1-yl-3,3-dimethyl-2-[[4-(trifluoromethyl)phenyl]methyl]butan-1-one
InChI:
InChI=1S/C17H19F3N2O/c1-16(2,3)14(15(23)22-9-8-21-11-22)10-12-4-6-13(7-5-12)17(18,19)20/h4-9,11,14H,10H2,1-3H3
InChI Key:
JEBBAPPSBPQCQN-UHFFFAOYSA-N
SMILES:
O=C(C(C(C)(C)C)Cc1ccc(cc1)C(F)(F)F)n1cncc1
Properties
Complexity:
409
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.145g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
324.347g/mol
Monoisotopic Mass:
324.145g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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